(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine

C233H488N32O21 — CID 157426373

IUPAC(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(COCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.C17H37N3O.2C17H34N2O2.C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O2.C16H34N2O.3C15H32N2O/c1-19(2,3)22-13-11-21(12-14-22)16-23-15-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;3*13,16H,7-12H2,1-6H3/t;;;;2*14-,15-;;;;;;;;/m....10......../s1
InChIKeyBPZUTQWMACPTOM-LFIGOBBLSA-N
MW4074.67 g/mol
LogP35.48
Rot. Bonds76

About (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine

(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 157426373) has the molecular formula C233H488N32O21 and a molecular weight of 4074.67 g/mol. Its IUPAC name is (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID157426373
Molecular FormulaC233H488N32O21
Molecular Weight4074.67 g/mol
Exact Mass4071.81
IUPAC Name(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(COCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.C17H37N3O.2C17H34N2O2.C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O2.C16H34N2O.3C15H32N2O/c1-19(2,3)22-13-11-21(12-14-22)16-23-15-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;3*13,16H,7-12H2,1-6H3/t;;;;2*14-,15-;;;;;;;;/m....10......../s1
InChIKeyBPZUTQWMACPTOM-LFIGOBBLSA-N
XLogP35.48
TPSA392.30 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds76
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004074.67
LogP ≤ 535.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine (CID 157426373) is (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine is CC(C)(C)CNC(=O)CN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)CNC1CCN(COC(C)(C)C)CC1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCC1CCN(COC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OC1CCC(COCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1C[C@@H]2C[C@H]1CN2CCOC(C)(C)C.CC(C)(C)OCCN1C[C@H]2C[C@@H]1CN2CCOC(C)(C)C.CC(COC(C)(C)C)N1CCN(CC(=O)NCC(C)(C)C)CC1.
What is the InChIKey of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is BPZUTQWMACPTOM-LFIGOBBLSA-N. The full InChI is InChI=1S/C20H40N2O2.C18H37N3O2.C17H35N3O2.C17H37N3O.2C17H34N2O2.C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O2.C16H34N2O.3C15H32N2O/c1-19(2,3)22-13-11-21(12-14-22)16-23-15-17-7-9-18(10-8-17)24-20(4,5)6;1-15(13-23-18(5,6)7)21-10-8-20(9-11-21)12-16(22)19-14-17(2,3)4;1-16(2,3)14-18-15(21)13-20-9-7-19(8-10-20)11-12-22-17(4,5)6;1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;2*1-16(2,3)20-9-7-18-12-15-11-14(18)13-19(15)8-10-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)19-13-11-17-7-9-18(10-8-17)12-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-14(2,3)11-16-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-11-13-7-9-17(10-8-13)12-18-15(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6/h17-18H,7-16H2,1-6H3;15H,8-14H2,1-7H3,(H,19,22);7-14H2,1-6H3,(H,18,21);18H,7-15H2,1-6H3;2*14-15H,7-13H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;7-14H2,1-6H3;14,17H,7-13H2,1-6H3;3*13,16H,7-12H2,1-6H3/t;;;;2*14-,15-;;;;;;;;/m....10......../s1.
What are the key properties of (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine?
(1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 4074.67 g/mol, XLogP of 35.48, 76 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;N-(2,2-dimethylpropyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-amine;N-(2,2-dimethylpropyl)-2-[4-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine;2-methyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 157426373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).